AG003KM3

1539-06-6 | 4-Acetamido-3-nitrobenzoic acid

AG003KM3

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CAS Number	1539-06-6
Catalog Number	AG003KM3(AGN-PC-0JLB67)
Chemical Name	4-Acetamido-3-nitrobenzoic acid
EC Number	216-265-2
IUPAC Name	4-acetamido-3-nitrobenzoic acid
InChI	InChI=1S/C9H8N2O5/c1-5(12)10-7-3-2-6(9(13)14)4-8(7)11(15)16/h2-4H,1H3,(H,10,12)(H,13,14)
InChI Key	BRQIMWBIZLRLSV-UHFFFAOYSA-N
MDL Number	MFCD00014703
Molecular Formula	C9H8N2O5
Molecular Weight	224.1702
NSC Number	190738
SMILES	O=C(O)C1=CC=C(NC(C)=O)C([N+]([O-])=O)=C1
UNII	9W2250FZKC
Synonyms	4-Acetamido-3-nitrobenzoic acid, 1539-06-6, 4-(Acetylamino)-3-nitrobenzoic acid, BENZOIC ACID, 4-(ACETYLAMINO)-3-NITRO-, UNII-9W2250FZKC, MFCD00014703, 9W2250FZKC, 4-Acetamino-3-nitrobenzoic acid, 4-acetamido-3-nitro-benzoic acid, 4-Acetylamino-3-nitrobenzoic acid, BRQIMWBIZLRLSV-UHFFFAOYSA-N, 4-Acetylamino-3-nitro-benzoic acid, AE-641/01923060, EINECS 216-265-2, NSC190738, NSC 190738, PubChem16827, AC1L2KGA, AC1Q5MRV, ACMC-1BQK5, Oprea1_193610, CBDivE_002615, KSC180E8T, 4-acetamido-3-nitrobenzoicacid, CHEMBL111082, SCHEMBL3613079, 3-nitro-4-acetamidobenzoic acid, DTXSID3061766, CTK0I0289, 4-Acetamido-3-nitro benzoic acid, ACT08038, KS-00000ZE9, ZINC3833955, ANW-60020, SBB028549, STL451544, AKOS002285072, AC-7719, AN-8727, CA-1943, MCULE-1113681443, NSC-190738, QC-1360, VZ28122, 4-(Acetylamino)-3-nitrobenzoic acid #, 4-Acetamido-3-nitrobenzoic acid, 97%, AJ-45806, CC-17590, OR345029, AX8007591, DB-012138, RT-002656, ST2418059, AM20030048, FT-0616684, ST50036749, 9N-715, K-4863, 4-acetamido-3-nitrobenzoic acid, Technical grade, C-12622, I01-0270, J-009055, C9H8N2O5, C9-H8-N2-O5, CID73758, AR-1G0326, 4-Acetamido-3-nitrobenzoic acid, 98% - 25G 25g, 156383-09-4,

Complexity	312
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	224.043g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	224.172g/mol
Monoisotopic Mass	224.043g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	112A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317
Packing Group
Precautionary statements	P261-P280
UN Code

Certificate of Analysis

Lot Number